PUBCHEM-ZINC02865718 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 0 0 0 0 0 0999 V2000 -0.6680 1.5500 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 0.0490 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 -0.6520 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 -2.0290 1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 -2.7040 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -2.0030 -1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -0.6270 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 -4.4590 -0.0160 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -4.7950 -1.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -4.8220 1.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 -5.1320 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5320 -5.4350 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 -5.9150 -0.6900 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 -5.9340 0.7100 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 -5.4540 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -5.3160 2.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -6.3630 2.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 -7.3720 2.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -6.2850 4.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 -5.8950 5.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -5.8240 6.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -6.1380 6.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 -6.5250 5.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 -6.6060 4.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -7.0260 3.5930 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4380 -7.4150 3.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -6.9830 2.4280 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.7450 -6.3980 1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9200 -6.8680 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 -7.5600 2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2010 -5.2510 2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 -5.2420 -2.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 2.0050 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 1.8740 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 1.8550 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -0.1240 2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -2.5760 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -2.5310 -2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -0.0800 -2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 -5.6490 5.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 -5.5220 7.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -6.0810 7.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 -6.7690 6.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5960 -7.6850 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7280 -7.2130 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2750 -6.0400 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4110 -7.2260 3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0560 -7.9050 3.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 -8.3770 1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5550 -4.4230 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0090 -5.5960 3.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3640 -4.9160 3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 -6.1440 -2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0150 -5.0410 -3.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -4.4000 -2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END